SCHEMBL7109264

SCHEMBL7109264

NC(=O)c1cncc(C(N)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
MC4R P32245 1/20 0.56
ADRA1A P35348 1/20 0.56
MC3R P41968 1/20 0.56
LMNA P02545 1/20 0.46
SIRT6 Q8N6T7 3/20 0.43
DGAT1 O75907 3/20 0.40
SIRT3 Q9NTG7 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.37
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3037984 0.91 TSHR (0.54) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL163537 0.85 ADORA3 (0.48) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL163536 0.85 ADORA3 (0.48) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL31555012 0.84 SIRT6 (0.50) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL19151399 0.84 ADORA3 (0.47) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL6377563 0.84 ADORA3 (0.47) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL3743154 0.84 ADORA3 (0.47) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL13837305 0.84 ADORA3 (0.47) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL741061 0.84 SIRT6 (0.50) TSHRADORA3MC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL21752450 0.82 ADORA3 (0.45) TSHRADORA3MC4RADRA1AMC3R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP claimed
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed